MDBind 4gto

Molecular system

Starting structure: 4GTOPDB 4GTO(opens in a new tab)
Force field: Amber ff14SB, GAFFTIP3P
Engine: Amber 20
Method: Classical MD
Timestep: 2 fs
Frames: 500
Composition: Molecules of interest
ProteinProtein · 2 chains11,651 atoms723 residues
OtherOther74 atoms
Total11,726 atoms725 residues
Box dimensions: a10.617nm
b8.694nm
c10.32nm

Sequences

Sequence 1Protein · 317 residues

GFLSLDSPTY VLYRDRAEWA DIDPVPQNDG PSPVVQIIYS EKFRDVYDYF RAVLQRDERS ERAFKLTRDA IELNAANYTV WHFRRVLLRS LQKDLQEEMN YIIAIIEEQP KNYQVWHHRR VLVEWLKDPS QELEFIADIL NQDAKNYHAW QHRQWVIQEF RLWDNELQYV DQLLKEDVRN NSVWNQRHFV ISNTTGYSDR AVLEREVQYT LEMIKLVPHN ESAWNYLKGI LQDRGLSRYP NLLNQLLDLQ PSHSSPYLIA FLVDIYEDML ENQCDNKEDI LNKALELCEI LAKEKDTIRK EYWRYIGRSL QSKHSRE

Sequence 2Protein · 406 residues

VWSEPLYSLR PEHARERLQD DSVETVTSIE QAKVEEKIQE VFSSYKFNHL VPRLVLQREK HFHYLKRGLR QLTDAYECLD ASRPWLCYWI LHSLELLDEP IPQIVATDVC QFLELCQSPD GGFGGGPGQY PHLAPTYAAV NALCIIGTEE AYNVINREKL LQYLYSLKQP DGSFLMHVGG EVDVRSAYCA ASVASLTNII TPDLFEGTAE WIARCQNWEG GIGGVPGMEA HGGYTFCGLA ALVILKKERS LNLKSLLQWV TSRQMRFEGG FQGRCNKLVD GCYSFWQAGL LPLLHRALHA QGDPALSMSH WMFHQQALQE YILMCCQCPA GGLLDKPGKS RDFYHTCYCL SGLSIAQHFG SGAMLHDVVM GVPENVLQPT HPVYNIGPDK VIQATTHFLQ KPVPGF

Run	Outputs
replica 1	Trajectory Analyses
replica 2	Trajectory Analyses
replica 3	Trajectory Analyses
replica 4	Trajectory Analyses
replica 5	Trajectory Analyses
replica 6	Trajectory Analyses
replica 7	Trajectory Analyses
replica 8	Trajectory Analyses
replica 9	Trajectory Analyses
replica 10	Trajectory Analyses

Files

40 files · 236 MB

All files236 MB

trajectory.binBIN
pca_trajectory_01.binBIN
pca_trajectory_02.binBIN
pca_trajectory_03.binBIN
pca_trajectory_04.binBIN
pca_trajectory_05.binBIN
pca_trajectory_06.binBIN
pca_trajectory_07.binBIN
pca_trajectory_08.binBIN
pca_trajectory_09.binBIN

Description

Molecular system

Sequences

Experiments

Files

Contributors